Geometry & MOs

Info

ID:	167663
PubChem CID:	74854501
Reduced:	O2S2N3C23H25 (1)
Stoich.:	A2B2C3D23E25 (1)
Weight, g/mol:	445.04596
ΔH_f, kcal/mol:	-43.41
Dipole, Da:	7.03
IP(EA), eV:	-8.76(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-bromophenyl)-6-(4-oxo-2-sulfanylidene-4aH-quinazolin-3-yl)hexanamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)SCC2NC3C(C(=C(S3)C(=O)NC4=CC=CC=C4)C)C(=O)N2

DOS

IR

Vibrations